SCHEMBL6042159

SCHEMBL6042159

O=C(O)N1CCC(c2cccc(Br)c2)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
KDM1A O60341 2/20 0.42
HTT P42858 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC18A3 Q16572 1/20 0.41
L3MBTL3 Q96JM7 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MBTD1 Q05BQ5 2/20 0.40
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6042250 0.84 SLC18A3 (0.55) HRH3KDM1AHTTSLC18A3TP53
SCHEMBL2241225 0.84 SLC18A3 (0.55) HRH3KDM1AHTTSLC18A3TP53
SCHEMBL2241229 0.84 SLC18A3 (0.55) HRH3KDM1AHTTSLC18A3TP53
SCHEMBL6041802 0.84 NPC1 (0.46) HTTSLC18A3ALDH1A1HPGD
SCHEMBL4351851 0.84 HTT (0.44) HTTSLC18A3TP53ALDH1A1SLC6A4
SCHEMBL18585650 0.84 HSD11B1 (0.46) HTTSLC18A3TP53ALDH1A1SLC6A3
SCHEMBL23291451 0.83 KDM1A (0.45) HRH3KDM1AHTTSLC18A3L3MBTL3
SCHEMBL6041675 0.83 KDM1A (0.45) HRH3KDM1AHTTSLC18A3L3MBTL3
SCHEMBL22804711 0.83 KDM1A (0.45) HRH3KDM1AHTTSLC18A3L3MBTL3
SCHEMBL2807246 0.82 JAK2 (0.48) HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HRH3 404/4885KDM1A 1891/4885HTT 155/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.